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72924-71-1 | 6-Benzoxazolamine, 2-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-diethyl-
CAS No: 72924-71-1 Catalog No: AG005DZF MDL No:
Product Description
Catalog Number:
AG005DZF
Chemical Name:
6-Benzoxazolamine, 2-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-diethyl-
CAS Number:
72924-71-1
Molecular Formula:
C23H29N3O
Molecular Weight:
363.4959
IUPAC Name:
2-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-diethyl-1,3-benzoxazol-6-amine
InChI:
InChI=1S/C23H29N3O/c1-5-25(6-2)19-12-9-18(10-13-19)11-16-23-24-21-15-14-20(17-22(21)27-23)26(7-3)8-4/h9-17H,5-8H2,1-4H3
InChI Key:
CFOCDGUVLGBOTL-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)C=Cc1oc2c(n1)ccc(c2)N(CC)CC)CC
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.231g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.505g/mol
Monoisotopic Mass:
363.231g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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